Chemical Properties of 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)- (CAS 458-36-6)

2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-

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InChI
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChI Key
DKZBBWMURDFHNE-NSCUHMNNSA-N
Formula
C10H10O3
SMILES
COc1cc(C=CC=O)ccc1O
Molecular Weight1
178.18
CAS
458-36-6
Other Names
  • 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl), (E)-
  • 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
  • 3-Methoxy-4-hydroxycinnamaldehyde
  • 3-methoxy-4-hydroxycinnamaldehyde (coniferilic aldehyde)
  • 4'-hydroxy-3'-methoxycinnamaldehyde
  • 4-Hydroxy-3-methoxycinnamaldehyde
  • CONIFERYL ALDEHYDE-1
  • Cinnamaldehyde, 4-hydroxy-3-methoxy-
  • Coniferaldehyde
  • Coniferylic aldehyde
Sources

Physical Properties

Property Value Unit Source
Δf -142.82 kJ/mol Joback Calculated Property
Δfgas -302.56 kJ/mol Joback Calculated Property
Δfus 24.77 kJ/mol Joback Calculated Property
Δvap 62.89 kJ/mol Joback Calculated Property
logPoct/wat 1.61 Crippen Calculated Property
Pc 3886.79 kPa Joback Calculated Property
Tboil 615.72 K Joback Calculated Property
Tc 844.66 K Joback Calculated Property
Tfus 412.27 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 329.26 J/mol×K 615.72 Joback Calculated Property
η 0.00 Pa×s 615.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 3
=C< (ring) 3
=CH- 2
-CH3 1
-OH (phenol) 1
O=CH- (aldehyde) 1

Similar Compounds

3-(3,4-dimethoxyphenyl)-2-propenal. Phenol, 2-methoxy-4-(1-propenyl)-. Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-. trans-Isoeugenol. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid. 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-. Benzene, 1,2-dimethoxy-4-(1-propenyl)-. (E)-4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol. cis-Methyl isoeugenol. 4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol. Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-. (E)-Methyl isoeugenol. 4-(1 E)-3-hydroxy-1-propenyl-2-methoxyphenol. 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propen-1-al (sinapaldehyde).

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